SCHEMBL4673532

SCHEMBL4673532

O=C1COc2c(N3CCNCC3)cccc2N1Cc1cccc(F)c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.78
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 6/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 3/20 0.43
ALDH3A1 P30838 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
UBE2N P61088 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB1 P08588 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4677722 0.99 HTR6 (0.76) HTR6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4675930 0.89 HTR6 (0.81) HTR6MEN1KMT2AHTR1AHTR7
Hydrochloric Acid SCHEMBL4677234 0.88 HTR6 (0.79) HTR6MEN1KMT2AHTR1AHTR7
SCHEMBL1136491 0.88 HTR6 (1.00) HTR6HTR1AHTR2ADRD2SLC6A2
SCHEMBL4674680 0.87 HTR6 (0.78) HTR6HTR1ADRD2ADRB1
Hydrochloric Acid SCHEMBL4678621 0.86 HTR6 (0.98) HTR6HTR1AHTR2ADRD2SLC6A2
SCHEMBL4675482 0.85 HTR6 (0.74) HTR6HTR1ADRD2SLC6A2SLC6A4
SCHEMBL4677556 0.84 HTR6 (0.73) HTR6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4681450 0.83 HTR6 (0.76) HTR6ALDH1A1KDM4E
SCHEMBL1136465 0.83 HTR6 (0.66) HTR6ALDH1A1MEN1KMT2AHTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US claimed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP claimed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO claimed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US claimed
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 HTR6 399/4885ALDH1A1 389/4885KDM4E 353/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.